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THYMIDINE-5'-PARA-CHLOROPHENYL(BETA-CYANOETHYL)PHOSPHATE
SpectraBase Compound ID L3EdxoIUbCl
InChI InChI=1S/C19H21ClN3O8P/c1-12-10-23(19(26)22-18(12)25)17-9-15(24)16(30-17)11-29-32(27,28-8-2-7-21)31-14-5-3-13(20)4-6-14/h3-6,10,15-17,24H,2,8-9,11H2,1H3,(H,22,25,26)/t15-,16+,17+,32?/m0/s1
InChIKey CSTDPXBQOOLNCL-ZKHLZZRJSA-N
Mol Weight 485.82 g/mol
Molecular Formula C19H21ClN3O8P
Exact Mass 485.075479 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lkOLqdmDwe
Name THYMIDINE-5'-PARA-CHLOROPHENYL(BETA-CYANOETHYL)PHOSPHATE
Comments , H2O:C5H5N=1:1, NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H21ClN3O8P
InChI InChI=1S/C19H21ClN3O8P/c1-12-10-23(19(26)22-18(12)25)17-9-15(24)16(30-17)11-29-32(27,28-8-2-7-21)31-14-5-3-13(20)4-6-14/h3-6,10,15-17,24H,2,8-9,11H2,1H3,(H,22,25,26)/t15-,16+,17+,32?/m0/s1
InChIKey CSTDPXBQOOLNCL-ZKHLZZRJSA-N
Instrument Name Bruker HX-90
Literature Reference E.V.BAUSK, V.V.GORN, A.V.LEBEDEV (1985) Bioorganich.Khim.(Russ. Lang.): v.11,N6, 815-820.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O/PYRIDINE